7GG
Summary
| Name: | 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine |
| Formula: | C17 H20 N6 |
| Formal charge: | 0 |
| Formula weight: | 308.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20N6/c1-3-23(4-2)11-10-14-15-16(19-12-18-15)22-17(21-14)20-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,18,19,20,21,22)/b11-10- |
| InChIKey | InChI | 1.03 | SHKLUCMYFCYADL-KHPPLWFESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)\C=C/c1nc(Nc2ccccc2)nc3nc[nH]c13 |
| SMILES | CACTVS | 3.385 | CCN(CC)C=Cc1nc(Nc2ccccc2)nc3nc[nH]c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CC)C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccccc3 |
